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Compile Data Set for Download or QSAR

Found 570 hits with Last Name = 'merta' and Initial = 'p'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043654
PNG
(CHEMBL3355539)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C(C)(C)C1
Show InChI InChI=1S/C26H23ClFN7O/c1-26(2)14-33(3)13-15-11-16(7-8-18(15)26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)5-4-6-20(21)28/h4-12H,13-14H2,1-3H3,(H,30,31,32)
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<1n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043648
PNG
(CHEMBL3355533)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C(C)(C)C1
Show InChI InChI=1S/C26H24ClN7O/c1-26(2)15-32(3)14-16-12-17(8-9-19(16)26)30-24-29-13-18-22(31-24)33-11-10-28-25(33)34(23(18)35)21-7-5-4-6-20(21)27/h4-13H,14-15H2,1-3H3,(H,29,30,31)
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<1n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043651
PNG
(CHEMBL3355536)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1
Show InChI InChI=1S/C26H21Cl2N7O/c1-33-13-15-11-16(5-6-18(15)26(14-33)7-8-26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)3-2-4-20(21)28/h2-6,9-12H,7-8,13-14H2,1H3,(H,30,31,32)
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<1n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043652
PNG
(CHEMBL3355537)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C2(CC2)C1
Show InChI InChI=1S/C26H21ClFN7O/c1-33-13-15-11-16(5-6-18(15)26(14-33)7-8-26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)3-2-4-20(21)28/h2-6,9-12H,7-8,13-14H2,1H3,(H,30,31,32)
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<1n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043653
PNG
(CHEMBL3355538)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(Cl)cccc3Cl)c4=O)ccc2C(C)(C)C1
Show InChI InChI=1S/C26H23Cl2N7O/c1-26(2)14-33(3)13-15-11-16(7-8-18(15)26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)5-4-6-20(21)28/h4-12H,13-14H2,1-3H3,(H,30,31,32)
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<1n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043649
PNG
(CHEMBL3355534)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(Cl)cccc2Cl)c3=O)cc1
Show InChI InChI=1S/C25H22Cl2N8O/c1-32-11-13-33(14-12-32)17-7-5-16(6-8-17)30-24-29-15-18-22(31-24)34-10-9-28-25(34)35(23(18)36)21-19(26)3-2-4-20(21)27/h2-10,15H,11-14H2,1H3,(H,29,30,31)
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<1n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043646
PNG
(CHEMBL3355531)
Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1
Show InChI InChI=1S/C26H22ClN7O/c1-32-14-16-12-17(6-7-19(16)26(15-32)8-9-26)30-24-29-13-18-22(31-24)33-11-10-28-25(33)34(23(18)35)21-5-3-2-4-20(21)27/h2-7,10-13H,8-9,14-15H2,1H3,(H,29,30,31)
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1.20n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043643
PNG
(CHEMBL3355528)
Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)cc2C1
Show InChI InChI=1S/C24H20ClN7O/c1-30-10-8-15-6-7-17(12-16(15)14-30)28-23-27-13-18-21(29-23)31-11-9-26-24(31)32(22(18)33)20-5-3-2-4-19(20)25/h2-7,9,11-13H,8,10,14H2,1H3,(H,27,28,29)
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1.60n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043650
PNG
(CHEMBL3355535)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(F)cccc2Cl)c3=O)cc1
Show InChI InChI=1S/C25H22ClFN8O/c1-32-11-13-33(14-12-32)17-7-5-16(6-8-17)30-24-29-15-18-22(31-24)34-10-9-28-25(34)35(23(18)36)21-19(26)3-2-4-20(21)27/h2-10,15H,11-14H2,1H3,(H,29,30,31)
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2n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043633
PNG
(CHEMBL3355518)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1
Show InChI InChI=1S/C25H23ClN8O/c1-31-12-14-32(15-13-31)18-8-6-17(7-9-18)29-24-28-16-19-22(30-24)33-11-10-27-25(33)34(23(19)35)21-5-3-2-4-20(21)26/h2-11,16H,12-15H2,1H3,(H,28,29,30)
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2.30n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043647
PNG
(CHEMBL3355532)
Show SMILES CC(=O)N1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1
Show InChI InChI=1S/C27H22ClN7O2/c1-16(36)33-14-17-12-18(6-7-20(17)27(15-33)8-9-27)31-25-30-13-19-23(32-25)34-11-10-29-26(34)35(24(19)37)22-5-3-2-4-21(22)28/h2-7,10-13H,8-9,14-15H2,1H3,(H,30,31,32)
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5.40n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043637
PNG
(CHEMBL3355522)
Show SMILES Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc(cc3)N3CCCCC3)ncc2c1=O
Show InChI InChI=1S/C25H22ClN7O/c26-20-6-2-3-7-21(20)33-23(34)19-16-28-24(30-22(19)32-15-12-27-25(32)33)29-17-8-10-18(11-9-17)31-13-4-1-5-14-31/h2-3,6-12,15-16H,1,4-5,13-14H2,(H,28,29,30)
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5.5n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043640
PNG
(CHEMBL3355525)
Show SMILES CN1CCN(CC1)c1cccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)c1
Show InChI InChI=1S/C25H23ClN8O/c1-31-11-13-32(14-12-31)18-6-4-5-17(15-18)29-24-28-16-19-22(30-24)33-10-9-27-25(33)34(23(19)35)21-8-3-2-7-20(21)26/h2-10,15-16H,11-14H2,1H3,(H,28,29,30)
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6.20n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043639
PNG
(CHEMBL3355524)
Show SMILES CC(=O)N1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1
Show InChI InChI=1S/C26H23ClN8O2/c1-17(36)32-12-14-33(15-13-32)19-8-6-18(7-9-19)30-25-29-16-20-23(31-25)34-11-10-28-26(34)35(24(20)37)22-5-3-2-4-21(22)27/h2-11,16H,12-15H2,1H3,(H,29,30,31)
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6.60n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043645
PNG
(CHEMBL3355530)
Show SMILES CN1CCCc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc12
Show InChI InChI=1S/C24H20ClN7O/c1-30-11-4-5-15-13-16(8-9-19(15)30)28-23-27-14-17-21(29-23)31-12-10-26-24(31)32(22(17)33)20-7-3-2-6-18(20)25/h2-3,6-10,12-14H,4-5,11H2,1H3,(H,27,28,29)
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7.40n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043638
PNG
(CHEMBL3355523)
Show SMILES CN1CCC(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2ccccc2Cl)c3=O)cc1
Show InChI InChI=1S/C26H24ClN7O/c1-32-13-10-18(11-14-32)17-6-8-19(9-7-17)30-25-29-16-20-23(31-25)33-15-12-28-26(33)34(24(20)35)22-5-3-2-4-21(22)27/h2-9,12,15-16,18H,10-11,13-14H2,1H3,(H,29,30,31)
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8.30n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043644
PNG
(CHEMBL3355529)
Show SMILES CN1CCCc2ccc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)cc12
Show InChI InChI=1S/C24H20ClN7O/c1-30-11-4-5-15-8-9-16(13-20(15)30)28-23-27-14-17-21(29-23)31-12-10-26-24(31)32(22(17)33)19-7-3-2-6-18(19)25/h2-3,6-10,12-14H,4-5,11H2,1H3,(H,27,28,29)
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8.60n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043634
PNG
(CHEMBL3355519)
Show SMILES Clc1ccccc1-n1c2nccn2c2nc(Nc3ccccc3)ncc2c1=O
Show InChI InChI=1S/C20H13ClN6O/c21-15-8-4-5-9-16(15)27-18(28)14-12-23-19(24-13-6-2-1-3-7-13)25-17(14)26-11-10-22-20(26)27/h1-12H,(H,23,24,25)
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21n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13533
PNG
(1-[2-(4-methylphenyl)-5-tert-butyl-pyrazol-3-yl]-3...)
Show SMILES Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(OCCN2CCOCC2)c2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-22-9-11-23(12-10-22)36-29(21-28(34-36)31(2,3)4)33-30(37)32-26-13-14-27(25-8-6-5-7-24(25)26)39-20-17-35-15-18-38-19-16-35/h5-14,21H,15-20H2,1-4H3,(H2,32,33,37)
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22n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043642
PNG
(CHEMBL3355527)
Show SMILES Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc4CCCCc4c3)ncc2c1=O
Show InChI InChI=1S/C24H19ClN6O/c25-19-7-3-4-8-20(19)31-22(32)18-14-27-23(29-21(18)30-12-11-26-24(30)31)28-17-10-9-15-5-1-2-6-16(15)13-17/h3-4,7-14H,1-2,5-6H2,(H,27,28,29)
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26n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM13336
PNG
(4-[4-(4-fluorophenyl)-2-(4-methanesulfinylphenyl)-...)
Show SMILES CS(=O)c1ccc(cc1)-c1nc(c([nH]1)-c1ccc(F)cc1)-c1ccncc1
Show InChI InChI=1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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57n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327186
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES CCN(CC)CCNC(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H40N6O2/c1-7-37(8-2)19-18-33-30(39)26-20-24(17-16-22(26)3)38-29(21-28(36-38)32(4,5)6)35-31(40)34-27-15-11-13-23-12-9-10-14-25(23)27/h9-17,20-21H,7-8,18-19H2,1-6H3,(H,33,39)(H2,34,35,40)
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86n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043636
PNG
(CHEMBL3355521)
Show SMILES Clc1ccccc1-n1c2nccn2c2nc(Nc3ccc(cc3)C3CCCCC3)ncc2c1=O
Show InChI InChI=1S/C26H23ClN6O/c27-21-8-4-5-9-22(21)33-24(34)20-16-29-25(31-23(20)32-15-14-28-26(32)33)30-19-12-10-18(11-13-19)17-6-2-1-3-7-17/h4-5,8-17H,1-3,6-7H2,(H,29,30,31)
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87n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327185
PNG
(CHEMBL1256034 | N-(3-aminopropyl)-5-(3-tert-butyl-...)
Show SMILES Cc1ccc(cc1C(=O)N(CCCN)C1CCCCC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H44N6O2/c1-24-18-19-27(22-29(24)33(42)40(21-11-20-36)26-14-6-5-7-15-26)41-32(23-31(39-41)35(2,3)4)38-34(43)37-30-17-10-13-25-12-8-9-16-28(25)30/h8-10,12-13,16-19,22-23,26H,5-7,11,14-15,20-21,36H2,1-4H3,(H2,37,38,43)
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89n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327187
PNG
(1-{5-tert-Butyl-2-[3-(1,1,3-trioxo-1lambda*6*-[1,2...)
Show SMILES CC(C)(C)c1cc(NC(=O)Nc2ccc(Cl)cc2)n(n1)-c1cccc(CN2C(O)=CNS2(=O)=O)c1
Show InChI InChI=1S/C23H25ClN6O4S/c1-23(2,3)19-12-20(27-22(32)26-17-9-7-16(24)8-10-17)30(28-19)18-6-4-5-15(11-18)14-29-21(31)13-25-35(29,33)34/h4-13,25,31H,14H2,1-3H3,(H2,26,27,32)
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99n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327184
PNG
(5-[3-tert-Butyl-5-(3-naphthalen-1-yl-ureido)-pyraz...)
Show SMILES Cc1ccc(cc1C(=O)N[C@@H]1CS(=O)(=O)C[C@H]1O)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C30H33N5O5S/c1-18-12-13-20(14-22(18)28(37)31-24-16-41(39,40)17-25(24)36)35-27(15-26(34-35)30(2,3)4)33-29(38)32-23-11-7-9-19-8-5-6-10-21(19)23/h5-15,24-25,36H,16-17H2,1-4H3,(H,31,37)(H2,32,33,38)/t24-,25-/m1/s1
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112n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327183
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES CN1CCN(CCNC(=O)c2cc(ccc2C)-n2nc(cc2NC(=O)Nc2cccc3ccccc23)C(C)(C)C)CC1
Show InChI InChI=1S/C33H41N7O2/c1-23-13-14-25(21-27(23)31(41)34-15-16-39-19-17-38(5)18-20-39)40-30(22-29(37-40)33(2,3)4)36-32(42)35-28-12-8-10-24-9-6-7-11-26(24)28/h6-14,21-22H,15-20H2,1-5H3,(H,34,41)(H2,35,36,42)
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140n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327182
PNG
(CHEMBL1257691 | N-(2-aminoethyl)-5-(3-tert-butyl-5...)
Show SMILES CCN(CCN)C(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C30H36N6O2/c1-6-35(17-16-31)28(37)24-18-22(15-14-20(24)2)36-27(19-26(34-36)30(3,4)5)33-29(38)32-25-13-9-11-21-10-7-8-12-23(21)25/h7-15,18-19H,6,16-17,31H2,1-5H3,(H2,32,33,38)
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157n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327181
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES Cc1ccc(cc1C(=O)NCc1ccncc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H32N6O2/c1-21-12-13-24(18-26(21)30(39)34-20-22-14-16-33-17-15-22)38-29(19-28(37-38)32(2,3)4)36-31(40)35-27-11-7-9-23-8-5-6-10-25(23)27/h5-19H,20H2,1-4H3,(H,34,39)(H2,35,36,40)
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176n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327180
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES Cc1ccc(cc1C(=O)NCC#N)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C28H28N6O2/c1-18-12-13-20(16-22(18)26(35)30-15-14-29)34-25(17-24(33-34)28(2,3)4)32-27(36)31-23-11-7-9-19-8-5-6-10-21(19)23/h5-13,16-17H,15H2,1-4H3,(H,30,35)(H2,31,32,36)
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252n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327188
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES Cc1ccc(cc1C(=O)NCCCO)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C29H33N5O3/c1-19-13-14-21(17-23(19)27(36)30-15-8-16-35)34-26(18-25(33-34)29(2,3)4)32-28(37)31-24-12-7-10-20-9-5-6-11-22(20)24/h5-7,9-14,17-18,35H,8,15-16H2,1-4H3,(H,30,36)(H2,31,32,37)
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283n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327189
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES Cc1ccc(cc1C(=O)NCCCN1CCOCC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C33H40N6O3/c1-23-13-14-25(21-27(23)31(40)34-15-8-16-38-17-19-42-20-18-38)39-30(22-29(37-39)33(2,3)4)36-32(41)35-28-12-7-10-24-9-5-6-11-26(24)28/h5-7,9-14,21-22H,8,15-20H2,1-4H3,(H,34,40)(H2,35,36,41)
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291n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327190
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES Cc1ccc(cc1C(=O)NCCCN1CCCC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C33H40N6O2/c1-23-15-16-25(21-27(23)31(40)34-17-10-20-38-18-7-8-19-38)39-30(22-29(37-39)33(2,3)4)36-32(41)35-28-14-9-12-24-11-5-6-13-26(24)28/h5-6,9,11-16,21-22H,7-8,10,17-20H2,1-4H3,(H,34,40)(H2,35,36,41)
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301n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327191
PNG
(CHEMBL1258158 | N-(3-aminopropyl)-5-(3-tert-butyl-...)
Show SMILES CC(C)N(CCCN)C(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H40N6O2/c1-21(2)37(18-10-17-33)30(39)26-19-24(16-15-22(26)3)38-29(20-28(36-38)32(4,5)6)35-31(40)34-27-14-9-12-23-11-7-8-13-25(23)27/h7-9,11-16,19-21H,10,17-18,33H2,1-6H3,(H2,34,35,40)
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312n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327192
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES Cc1ccc(cc1C(=O)NCc1ccncn1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H31N7O2/c1-20-12-13-23(16-25(20)29(39)33-18-22-14-15-32-19-34-22)38-28(17-27(37-38)31(2,3)4)36-30(40)35-26-11-7-9-21-8-5-6-10-24(21)26/h5-17,19H,18H2,1-4H3,(H,33,39)(H2,35,36,40)
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327n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327193
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES COCCCN1CCC(CC1)NC(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H44N6O3/c1-24-14-15-27(22-29(24)33(42)36-26-16-19-40(20-17-26)18-9-21-44-5)41-32(23-31(39-41)35(2,3)4)38-34(43)37-30-13-8-11-25-10-6-7-12-28(25)30/h6-8,10-15,22-23,26H,9,16-21H2,1-5H3,(H,36,42)(H2,37,38,43)
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336n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327194
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES Cc1ccc(cc1C(=O)NCCNc1ccccc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H36N6O2/c1-23-17-18-26(21-28(23)32(41)36-20-19-35-25-13-6-5-7-14-25)40-31(22-30(39-40)34(2,3)4)38-33(42)37-29-16-10-12-24-11-8-9-15-27(24)29/h5-18,21-22,35H,19-20H2,1-4H3,(H,36,41)(H2,37,38,42)
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433n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327195
PNG
((S)-5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H...)
Show SMILES CC(C)[C@H](CO)CNC(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H39N5O3/c1-20(2)23(19-38)18-33-30(39)26-16-24(15-14-21(26)3)37-29(17-28(36-37)32(4,5)6)35-31(40)34-27-13-9-11-22-10-7-8-12-25(22)27/h7-17,20,23,38H,18-19H2,1-6H3,(H,33,39)(H2,34,35,40)/t23-/m0/s1
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471n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327196
PNG
(CHEMBL1258386 | N-(2-aminoethyl)-5-(3-tert-butyl-5...)
Show SMILES CN(CCN)C(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C29H34N6O2/c1-19-13-14-21(17-23(19)27(36)34(5)16-15-30)35-26(18-25(33-35)29(2,3)4)32-28(37)31-24-12-8-10-20-9-6-7-11-22(20)24/h6-14,17-18H,15-16,30H2,1-5H3,(H2,31,32,37)
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715n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327197
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES CCN(CCN(C)C)C(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C32H40N6O2/c1-8-37(19-18-36(6)7)30(39)26-20-24(17-16-22(26)2)38-29(21-28(35-38)32(3,4)5)34-31(40)33-27-15-11-13-23-12-9-10-14-25(23)27/h9-17,20-21H,8,18-19H2,1-7H3,(H2,33,34,40)
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735n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327198
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES CC(C)CC(CNC(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C)C(N)=O
Show InChI InChI=1S/C33H40N6O3/c1-20(2)16-23(30(34)40)19-35-31(41)26-17-24(15-14-21(26)3)39-29(18-28(38-39)33(4,5)6)37-32(42)36-27-13-9-11-22-10-7-8-12-25(22)27/h7-15,17-18,20,23H,16,19H2,1-6H3,(H2,34,40)(H,35,41)(H2,36,37,42)
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786n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327199
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES Cc1ccc(cc1C(=O)NC1CCN(CCN2CCOCC2)CC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C37H47N7O3/c1-26-12-13-29(24-31(26)35(45)38-28-14-16-42(17-15-28)18-19-43-20-22-47-23-21-43)44-34(25-33(41-44)37(2,3)4)40-36(46)39-32-11-7-9-27-8-5-6-10-30(27)32/h5-13,24-25,28H,14-23H2,1-4H3,(H,38,45)(H2,39,40,46)
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885n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327200
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES CCN(CCOC)C(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C31H37N5O3/c1-7-35(17-18-39-6)29(37)25-19-23(16-15-21(25)2)36-28(20-27(34-36)31(3,4)5)33-30(38)32-26-14-10-12-22-11-8-9-13-24(22)26/h8-16,19-20H,7,17-18H2,1-6H3,(H2,32,33,38)
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1.39E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327201
PNG
(CHEMBL1256040 | N-(2-(1H-indol-3-yl)ethyl)-5-(3-te...)
Show SMILES Cc1ccc(cc1C(=O)NCCc1c[nH]c2ccccc12)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C36H36N6O2/c1-23-16-17-26(20-29(23)34(43)37-19-18-25-22-38-30-14-8-7-13-28(25)30)42-33(21-32(41-42)36(2,3)4)40-35(44)39-31-15-9-11-24-10-5-6-12-27(24)31/h5-17,20-22,38H,18-19H2,1-4H3,(H,37,43)(H2,39,40,44)
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1.40E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327202
PNG
(CHEMBL1256041 | N-(4-aminophenethyl)-5-(3-tert-but...)
Show SMILES Cc1ccc(cc1C(=O)NCCc1ccc(N)cc1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H36N6O2/c1-22-12-17-26(20-28(22)32(41)36-19-18-23-13-15-25(35)16-14-23)40-31(21-30(39-40)34(2,3)4)38-33(42)37-29-11-7-9-24-8-5-6-10-27(24)29/h5-17,20-21H,18-19,35H2,1-4H3,(H,36,41)(H2,37,38,42)
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1.45E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043641
PNG
(CHEMBL3355526)
Show SMILES CN1CCN(CC1)c1ccccc1Nc1ncc2c(n1)n1ccnc1n(-c1ccccc1Cl)c2=O
Show InChI InChI=1S/C25H23ClN8O/c1-31-12-14-32(15-13-31)21-9-5-3-7-19(21)29-24-28-16-17-22(30-24)33-11-10-27-25(33)34(23(17)35)20-8-4-2-6-18(20)26/h2-11,16H,12-15H2,1H3,(H,28,29,30)
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>3.14E+3n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase WEE1


(Homo sapiens (Human))
BDBM50043635
PNG
(CHEMBL3355520)
Show SMILES Clc1ccccc1-n1c2nccn2c2nc(NC3CCCCC3)ncc2c1=O
Show InChI InChI=1S/C20H19ClN6O/c21-15-8-4-5-9-16(15)27-18(28)14-12-23-19(24-13-6-2-1-3-7-13)25-17(14)26-11-10-22-20(26)27/h4-5,8-13H,1-3,6-7H2,(H,23,24,25)
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>3.14E+3n/an/an/an/an/an/an/an/a



AbbVie

Curated by ChEMBL


Assay Description
Inhibition of GST-tagged human Wee1


ACS Med Chem Lett 6: 58-62 (2015)


Article DOI: 10.1021/ml5002745
BindingDB Entry DOI: 10.7270/Q2NZ8972
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327203
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES COc1ccccc1CCNC(=O)c1cc(ccc1C)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C35H37N5O3/c1-23-17-18-26(21-28(23)33(41)36-20-19-25-12-7-9-16-30(25)43-5)40-32(22-31(39-40)35(2,3)4)38-34(42)37-29-15-10-13-24-11-6-8-14-27(24)29/h6-18,21-22H,19-20H2,1-5H3,(H,36,41)(H2,37,38,42)
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>3.90E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327204
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES Cc1ccc(cc1C(=O)NCCC1=CCCCC1)-n1nc(cc1NC(=O)Nc1cccc2ccccc12)C(C)(C)C
Show InChI InChI=1S/C34H39N5O2/c1-23-17-18-26(21-28(23)32(40)35-20-19-24-11-6-5-7-12-24)39-31(22-30(38-39)34(2,3)4)37-33(41)36-29-16-10-14-25-13-8-9-15-27(25)29/h8-11,13-18,21-22H,5-7,12,19-20H2,1-4H3,(H,35,40)(H2,36,37,41)
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>3.90E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM50327205
PNG
(5-(3-tert-butyl-5-(3-naphthalen-1-ylureido)-1H-pyr...)
Show SMILES COc1ccc(CCNC(=O)c2cc(ccc2C)-n2nc(cc2NC(=O)Nc2cccc3ccccc23)C(C)(C)C)cc1
Show InChI InChI=1S/C35H37N5O3/c1-23-13-16-26(21-29(23)33(41)36-20-19-24-14-17-27(43-5)18-15-24)40-32(22-31(39-40)35(2,3)4)38-34(42)37-30-12-8-10-25-9-6-7-11-28(25)30/h6-18,21-22H,19-20H2,1-5H3,(H,36,41)(H2,37,38,42)
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>3.90E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to full-length GST-tagged p38alpha after 2.5 hrs by TR-FRET competition binding assay


Bioorg Med Chem Lett 20: 5787-92 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.097
BindingDB Entry DOI: 10.7270/Q2MC907J
More data for this
Ligand-Target Pair
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